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Cis-[Aqua/methanol(0.45/1.55)](1,1,1-trifluoro-5,5-dimethyl-hexane-2,4-dionato)nickel(II)-cis-[aqua/methanol(1.49/0.51)](1,1,1-trifluoro-5,5-dimethyl-hexane-2,4-dionato)nickel(II) (1/1).


ABSTRACT: The title compound, [Ni(C(8)H(10)F(3)O(2))(2)(CH(4)O)(1.55)(H(2)O)(0.45)][Ni(C(8)H(10)F(3)O(2))(2)(CH(4)O)(0.51)(H(2)O)(1.49)], is an octa-hedral nickel(II) complex with two acetyl-acetonate-like 1,1,1-trifluoro-5,5-dimethyl-hexane-2,4-dionate ligands. The two chelating ligands are in cis positions with respect to each other and the remaining two adjacent coordination sites are taken up by water and methanol donor mol-ecules. In both crystallographically independent mol-ecules, each donor site shows disorder of methanol and water with occupancies of 0.51?(1) and 0.55?(1) in favor of methanol. The remaining two donor sites are not disordered and are water for the first and methanol for the second independent mol-ecule. Rotational disorder is observed for one of the tert-butyl groups, the occupancy rate for the major component here is 0.687?(9). O-H?O hydrogen bonds connect the two independent mol-ecules with each other and, across a crystallographic inversion center, they are combined with two neighboring mol-ecules to form a centrosymmetric hydrogen-bonded tetra-mer.

SUBMITTER: Hunter GO 

PROVIDER: S-EPMC2968228 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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cis-[Aqua/methanol(0.45/1.55)](1,1,1-trifluoro-5,5-dimethyl-hexane-2,4-dionato)nickel(II)-cis-[aqua/methanol(1.49/0.51)](1,1,1-trifluoro-5,5-dimethyl-hexane-2,4-dionato)nickel(II) (1/1).

Hunter Gerald O GO   Zeller Matthias M   Leskiw Brian D BD  

Acta crystallographica. Section E, Structure reports online 20090123 Pt 2


The title compound, [Ni(C(8)H(10)F(3)O(2))(2)(CH(4)O)(1.55)(H(2)O)(0.45)][Ni(C(8)H(10)F(3)O(2))(2)(CH(4)O)(0.51)(H(2)O)(1.49)], is an octa-hedral nickel(II) complex with two acetyl-acetonate-like 1,1,1-trifluoro-5,5-dimethyl-hexane-2,4-dionate ligands. The two chelating ligands are in cis positions with respect to each other and the remaining two adjacent coordination sites are taken up by water and methanol donor mol-ecules. In both crystallographically independent mol-ecules, each donor site s  ...[more]

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